data_Graphite _chemical_name_systematic 'Carbon' _chemical_name_mineral 'Graphite nitrate' _chemical_formula_structural 'C' _chemical_formula_analytical 'C (H N O3)' _chemical_formula_sum 'C' _publ_section_title ; Order-disorder transformations in graphite nitrates ; loop_ _publ_author_name 'Nixon, D E' 'Parry, G S' 'Ubbelohde, A R' _journal_name_full ; Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) ; _journal_coden_ASTM PRLAAZ _journal_volume 291 _journal_year 1966 _journal_page_first 324 _journal_page_last 339 _cell_length_a 2.46 _cell_length_b 2.46 _cell_length_c 33.45 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 175.3 _cell_formula_units_Z 12 _symmetry_space_group_name_H-M 'R -3 m H' _symmetry_Int_Tables_number 166 _symmetry_cell_setting trigonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-y,x-y,z' 'y-x,-x,z' '-y,-x,z' 'x,x-y,z' 'y-x,y,z' '-x,-y,-z' 'y,y-x,-z' 'x-y,x,-z' 'y,x,-z' '-x,y-x,-z' 'x-y,-y,-z' '1/3+x,2/3+y,2/3+z' '2/3+x,1/3+y,1/3+z' '1/3-y,2/3+x-y,2/3+z' '2/3-y,1/3+x-y,1/3+z' '1/3-x+y,2/3-x,2/3+z' '2/3-x+y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' '2/3-y,1/3-x,1/3+z' '1/3+x,2/3+x-y,2/3+z' '2/3+x,1/3+x-y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '2/3-x+y,1/3+y,1/3+z' '1/3-x,2/3-y,2/3-z' '2/3-x,1/3-y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '2/3+y,1/3-x+y,1/3-z' '1/3+x-y,2/3+x,2/3-z' '2/3+x-y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '2/3+y,1/3+x,1/3-z' '1/3-x,2/3-x+y,2/3-z' '2/3-x,1/3-x+y,1/3-z' '1/3+x-y,2/3-y,2/3-z' '2/3+x-y,1/3-y,1/3-z' loop_ _atom_type_symbol _atom_type_oxidation_number C0 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag C1 C0 6 c 0. 0. 0.05 1. 0 d C2 C0 6 c 0. 0. 0.283 1. 0 d data_Graphite 2H _chemical_name_systematic 'Carbon' _chemical_name_mineral 'Graphite 2H' _chemical_compound_source 'from Kropfm}hl, Bavaria' _chemical_formula_structural 'C' _chemical_formula_sum 'C' _publ_section_title ; Ueber die Kristallstruktur des Graphits ; _publ_author_name 'Hassel, O' _journal_name_full ; Zeitschrift fuer Physik ; _journal_coden_ASTM ZEPYAA _journal_volume 25 _journal_year 1924 _journal_page_first 317 _journal_page_last 337 _cell_length_a 2.47 _cell_length_b 2.47 _cell_length_c 6.79 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 35.9 _cell_formula_units_Z 4 _exptl_crystal_density_meas 2.16 _symmetry_space_group_name_H-M 'P 63 m c' _symmetry_Int_Tables_number 186 _symmetry_cell_setting hexagonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-y,x-y,z' 'y-x,-x,z' '-y,-x,z' 'y-x,y,z' 'x,x-y,z' '-x,-y,1/2+z' 'y,y-x,1/2+z' 'x-y,x,1/2+z' 'y,x,1/2+z' 'x-y,-y,1/2+z' '-x,y-x,1/2+z' loop_ _atom_type_symbol _atom_type_oxidation_number C0 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag C1 C0 2 a 0. 0. 0. 1. 0 d C2 C0 2 b 0.3333 0.6667 0.005(5) 1. 0 d data_Graphite 3R _audit_creation_date 100-06-21 _audit_creation_method 'generated by RETRIEVE 2.0' _database_code_ICSD 31829 _chemical_name_systematic 'Carbon' _chemical_name_mineral 'Graphite 3R' _chemical_formula_structural 'C' _chemical_formula_sum 'C' _publ_section_title ; The Structure of graphite ; loop_ _publ_author_name 'Lipson, H' 'Stokes, A R' _journal_name_full ; Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) ; _journal_coden_ASTM PRLAAZ _journal_volume 181 _journal_year 1942 _journal_page_first 101 _journal_page_last 105 _cell_length_a 3.635 _cell_length_b 3.635 _cell_length_c 3.635 _cell_angle_alpha 39.49 _cell_angle_beta 39.49 _cell_angle_gamma 39.49 _cell_volume 17.5 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'R -3 m R' _symmetry_Int_Tables_number 166 _symmetry_cell_setting trigonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'y,x,z' 'y,z,x' 'x,z,y' 'z,x,y' 'z,y,x' '-x,-y,-z' '-y,-x,-z' '-y,-z,-x' '-x,-z,-y' '-z,-x,-y' '-z,-y,-x' loop_ _atom_type_symbol _atom_type_oxidation_number C0 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag C1 C0 2 c 0.164 0.164 0.164 1. 0 d data_Lonsdaelite _audit_creation_date 100-06-21 _audit_creation_method 'generated by RETRIEVE 2.0' _database_code_ICSD 67774 _chemical_name_systematic 'Carbon' _chemical_name_mineral 'Lonsdaleite' _chemical_formula_structural 'C' _chemical_formula_sum 'C' _publ_section_title ; Zinc-blende-Wurtzite polytypism in semiconductors ; loop_ _publ_author_name 'Yeh, C' 'Lu, Z W' 'Froyen, S' 'Zunger, A' _journal_name_full ; Physical Review, Serie 3. B - Condensed Matter (18,1978-) ; _journal_coden_ASTM PRBMDO _journal_volume 46 _journal_year 1992 _journal_page_first 10086 _journal_page_last 10097 _journal_issue 16 _cell_length_a 2.49 _cell_length_b 2.49 _cell_length_c 4.144 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 22.3 _cell_formula_units_Z 4 _exptl_crystal_density_meas 3.5 _symmetry_space_group_name_H-M 'P 63 m c' _symmetry_Int_Tables_number 186 _symmetry_cell_setting hexagonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-y,x-y,z' 'y-x,-x,z' '-y,-x,z' 'y-x,y,z' 'x,x-y,z' '-x,-y,1/2+z' 'y,y-x,1/2+z' 'x-y,x,1/2+z' 'y,x,1/2+z' 'x-y,-y,1/2+z' '-x,y-x,1/2+z' loop_ _atom_type_symbol _atom_type_oxidation_number C0 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag C1 C0 2 b 0.3333 0.6667 0. 1. 0 d C2 C0 2 b 0.3333 0.6667 0.374 1. 0 d